SCHEMBL1476013

SCHEMBL1476013

Cc1ccccc1C#CC1(O)CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 2/20 0.36
TNKS O95271 2/20 0.36
PARP1 P09874 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
KMT2A Q03164 3/20 0.35
TRPC5 Q9UL62 3/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CYP2A13 Q16696 1/20 0.34
ADAM17 P78536 1/20 0.34
ACHE P22303 1/20 0.34
CBLB Q13191 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
COMT P21964 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1476057 0.87 CCR8 (0.38) CCR8KCNH2LMNAKMT2ACYP2A13
SCHEMBL1475414 0.82 EGLN1 (0.41) TNKSPARP1TNKS2EGLN1
SCHEMBL12827516 0.79 OPRL1 (0.45) CCR8KCNH2LMNAKMT2ATRPC5
SCHEMBL1475951 0.77 CCR8 (0.42) CCR8KCNH2LMNAKMT2ATRPC5
SCHEMBL1475872 0.74 CCR8 (0.46) CCR8KCNH2LMNAKMT2AEGLN1
SCHEMBL14431327 0.71 CCR8 (0.45) CCR8KCNH2LMNAKMT2ATRPC5
SCHEMBL1475748 0.70 EGLN1 (0.35) LMNATNKSPARP1TNKS2EGLN1
SCHEMBL1475919 0.70 KCNH2 (0.44) CCR8KCNH2LMNAEGLN1ALDH1A1
SCHEMBL12827514 0.70 ALDH1A1 (0.48) CCR8KCNH2LMNAKMT2ACYP2A13
SCHEMBL14431350 0.69 CCR8 (0.38) CCR8KCNH2LMNAKMT2ATRPC5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 CCR8 1336/4885KCNH2 451/4885LMNA 913/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 CCR8 1016/4885KCNH2 762/4885LMNA 2984/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 CCR8 1336/4885KCNH2 451/4885LMNA 913/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.